8.20238

4-tert-Butylbenzoic acid

for synthesis

• 동의어(들): 4-tert-Butylbenzoic acid, PTBBA
• Linear Formula: 4-[(CH₃)₃C]C₆H₄COOH
• CAS Number: 98-73-7
• Molecular Weight: 178.23
• MDL number: MFCD00002563
• UNSPSC 코드: 12352106
• EC 인덱스 번호: 202-696-3

속성

• vapor pressure: <0.01 hPa ( 20 °C)
• Quality Level: 200
• 분석: ≥99.0% (acidimetric)
• 형태: solid
• autoignition temp.: >510 °C
• 효능: 473-735 mg/kg LD₅₀, oral (Rat)
• pH: 3.9 (20 °C in H₂O, saturated solution)
• mp: 165-167 °C
• density: 0.6 g/cm³ at 20 °C
• 벌크 밀도: 340 kg/m³
• 저장 온도: 2-30°C
• InChI: 1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
• InChI key: KDVYCTOWXSLNNI-UHFFFAOYSA-N

설명

분석 메모

Assay (acidimetric): ≥ 99.0 %
Melting range (lower value): ≥ 165 °C
Melting range (upper value): ≤ 167 °C
Identity (IR): passes test

안전성 정보

• 픽토그램: GHS07,GHS08
• 신호어: Danger
• 유해 및 위험 성명서: H302 - H360F - H372 - H412
• 예방조치 성명서: P202 - P260 - P264 - P273 - P301 + P312 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 3 - Repr. 1B - STOT RE 1
• Storage Class Code: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3